Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
91 (1989), S. 5118-5119
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The vertical ionization potentials of the D2d and C2v structures of B2H4 are reported at the G1 level of ab initio molecular orbital theory. The results support the interpretation by Ruscic, Schwarz, and Berkowitz of their new photoionization experiment in terms of a C2v bridged structure of B2H4. In addition, the bridged C2v B2H+4 cation is found to have a very small barrier to inversion (1 kcal/mol).
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.457605
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